1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-ethylsulfonylbenzimidazole

C18H26N2O2S — CID 11580822

IUPAC1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-ethylsulfonylbenzimidazole
SMILESCCS(=O)(=O)c1ccc2c(c1)nc(CC(C)(C)C)n2CC1CC1
InChIInChI=1S/C18H26N2O2S/c1-5-23(21,22)14-8-9-16-15(10-14)19-17(11-18(2,3)4)20(16)12-13-6-7-13/h8-10,13H,5-7,11-12H2,1-4H3
InChIKeyIAJXCUDLAWNZSP-UHFFFAOYSA-N
MW334.49 g/mol
LogP3.83
Rot. Bonds5

About 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-ethylsulfonylbenzimidazole

1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-ethylsulfonylbenzimidazole (PubChem CID 11580822) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-ethylsulfonylbenzimidazole.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-ethylsulfonylbenzimidazole
PubChem CID11580822
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC Name1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-ethylsulfonylbenzimidazole
SMILESCCS(=O)(=O)c1ccc2c(c1)nc(CC(C)(C)C)n2CC1CC1
InChIInChI=1S/C18H26N2O2S/c1-5-23(21,22)14-8-9-16-15(10-14)19-17(11-18(2,3)4)20(16)12-13-6-7-13/h8-10,13H,5-7,11-12H2,1-4H3
InChIKeyIAJXCUDLAWNZSP-UHFFFAOYSA-N
XLogP3.83
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-ethylsulfonylbenzimidazole?
The IUPAC name of 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-ethylsulfonylbenzimidazole (CID 11580822) is 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-ethylsulfonylbenzimidazole.
What is the SMILES notation for 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-ethylsulfonylbenzimidazole?
The canonical SMILES for 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-ethylsulfonylbenzimidazole is CCS(=O)(=O)c1ccc2c(c1)nc(CC(C)(C)C)n2CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-ethylsulfonylbenzimidazole?
The InChIKey is IAJXCUDLAWNZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-5-23(21,22)14-8-9-16-15(10-14)19-17(11-18(2,3)4)20(16)12-13-6-7-13/h8-10,13H,5-7,11-12H2,1-4H3.
What are the key properties of 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-ethylsulfonylbenzimidazole?
1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-ethylsulfonylbenzimidazole has a molecular weight of 334.49 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-ethylsulfonylbenzimidazole is sourced from PubChem (CID 11580822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).